N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

C17H17N3O2S — CID 91639467

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C17H17N3O2S/c21-10-14(8-12-4-2-1-3-5-12)18-17(22)16-9-15(19-20-16)13-6-7-23-11-13/h1-7,9,11,14,21H,8,10H2,(H,18,22)(H,19,20)/t14-/m0/s1
InChIKeyOVDRRRBWUWHRSU-AWEZNQCLSA-N
MW327.41 g/mol
LogP2.47
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 91639467) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
PubChem CID91639467
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C17H17N3O2S/c21-10-14(8-12-4-2-1-3-5-12)18-17(22)16-9-15(19-20-16)13-6-7-23-11-13/h1-7,9,11,14,21H,8,10H2,(H,18,22)(H,19,20)/t14-/m0/s1
InChIKeyOVDRRRBWUWHRSU-AWEZNQCLSA-N
XLogP2.47
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (CID 91639467) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccsc2)n[nH]1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is OVDRRRBWUWHRSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-10-14(8-12-4-2-1-3-5-12)18-17(22)16-9-15(19-20-16)13-6-7-23-11-13/h1-7,9,11,14,21H,8,10H2,(H,18,22)(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91639467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).